CFam Chemical Families Database
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You are searching for "CFAMM00428977" in compound.

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CFAM Mol ID CFAMM00428977
Family CFFBM14540 Beta-3 adrenergic receptor ligand SureCN4584432 family
Superfamily CFSBM6354 Beta-3 adrenergic receptor Binder Superfamily 3
Class CFCAD411 Class 411
External ID CHEMBL271574 External Source CHEMBL
PubChem CID 11453340 Functional Category Bioactive
Molecule Name SureCN5703871
IUPAC Name 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-propan-2-ylsulfanylbenzoic acid
Synonyms CHEBI:539894
InChi InChI=1S/C26H29NO3S/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
InChiKey FYONCJXSNAVJFY-DEOSSOPVSA-N
Formula C26H29NO3S Molecular Weight 435.58
Cross Link CHEMBL271574
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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